#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf0 n SER 2 N 0.00 0.16 0.05 1.61 2.88 -1.26 -5.02 113.62 112.04 1wf0 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wf0 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wf0 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wf0 n SER 3 N -2.48 0.47 0.00 -3.46 7.64 -1.26 -5.09 113.62 109.44 1wf0 n SER 3 Ca 0.00 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1wf0 n SER 3 Cb 0.13 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1wf0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf0 n GLY 4 N 2.77 0.14 3.66 0.23 0.00 -1.26 -5.17 105.19 105.55 1wf0 n GLY 4 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1wf0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf0 s SER 5 N 0.00 4.65 -0.54 1.61 0.15 -1.26 -4.97 113.70 113.33 1wf0 s SER 5 Ca 0.00 -0.57 0.05 0.00 0.70 0.00 0.00 55.95 56.13 1wf0 s SER 5 Cb 0.00 -0.91 0.19 0.00 -1.71 0.00 0.00 66.02 63.58 1wf0 s SER 5 CO 0.00 0.02 0.46 -1.54 1.20 0.00 0.00 173.24 173.38 1wf0 n SER 6 N -0.75 1.32 -3.72 5.45 3.41 -1.26 -4.57 113.62 113.50 1wf0 n SER 6 Ca -0.07 -2.83 -0.16 0.00 -0.26 0.00 0.00 58.87 55.55 1wf0 n SER 6 Cb 0.58 -0.65 -0.16 0.00 -0.26 0.00 0.00 64.21 63.72 1wf0 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wf0 s GLY 7 N -0.91 0.08 0.15 5.00 0.00 -1.26 -2.47 107.32 107.92 1wf0 s GLY 7 Ca 0.31 0.42 0.07 0.00 0.00 0.00 0.00 44.72 45.52 1wf0 s GLY 7 CO -0.16 1.11 -0.15 -1.34 0.00 0.00 0.00 173.10 172.56 1wf0 s VAL 8 N 1.57 1.52 -0.17 1.40 -7.23 -0.37 -3.95 120.40 113.17 1wf0 s VAL 8 Ca -0.04 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1wf0 s VAL 8 Cb -0.12 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 1wf0 s VAL 8 CO -0.04 -0.44 -0.04 -0.36 -0.31 0.00 0.00 175.10 173.91 1wf0 s PHE 9 N -2.34 3.00 -0.90 2.82 0.08 -0.63 -0.78 117.98 119.23 1wf0 s PHE 9 Ca 0.14 -0.40 -0.07 0.00 0.12 0.00 0.00 56.93 56.72 1wf0 s PHE 9 Cb -0.04 -1.98 0.23 0.00 -0.57 0.00 0.00 43.02 40.66 1wf0 s PHE 9 CO 0.04 -0.12 0.83 0.08 -0.10 0.00 0.00 175.22 175.95 1wf0 s VAL 10 N 0.55 5.10 0.98 -0.44 1.01 0.05 -3.14 120.40 124.50 1wf0 s VAL 10 Ca -0.03 -3.23 -0.17 0.00 0.00 0.00 0.00 61.98 58.55 1wf0 s VAL 10 Cb -0.14 -4.14 0.23 0.00 0.00 0.00 0.00 36.38 32.33 1wf0 s VAL 10 CO 0.03 -1.07 1.08 0.61 0.00 0.00 0.00 175.10 175.74 1wf0 n GLY 11 N 3.04 -2.10 2.54 4.51 0.00 -1.26 -2.98 105.19 108.95 1wf0 n GLY 11 Ca 0.18 -1.60 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 1wf0 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wf0 n ARG 12 N -3.98 -1.42 -0.56 1.61 1.74 -0.33 -4.17 116.66 109.55 1wf0 n ARG 12 Ca 0.14 1.15 -0.05 0.00 -0.77 0.00 0.00 57.85 58.33 1wf0 n ARG 12 Cb 0.52 -5.54 0.03 0.00 -1.02 0.00 0.00 32.46 26.44 1wf0 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wf0 s THR 14 N -1.07 0.03 0.01 0.00 -4.23 -1.26 -4.60 115.64 104.52 1wf0 s THR 14 Ca 0.12 -1.96 -0.22 0.00 -1.18 0.00 0.00 61.69 58.45 1wf0 s THR 14 Cb -0.00 -2.37 -0.18 0.00 1.34 0.00 0.00 72.50 71.28 1wf0 s THR 14 CO 0.09 -0.13 1.23 1.23 -0.54 0.00 0.00 174.62 176.50 1wf0 h GLY 15 N 2.68 0.31 -0.59 3.99 0.00 -2.00 -3.27 103.07 104.20 1wf0 h GLY 15 Ca -0.36 -0.38 0.18 0.00 0.00 0.00 0.00 47.33 46.77 1wf0 h GLY 15 CO 0.54 0.34 -0.11 -0.55 0.00 0.00 0.00 176.54 176.77 1wf0 h ASP 16 N -0.20 -0.60 -2.43 0.19 3.32 -2.06 -3.41 116.42 111.24 1wf0 h ASP 16 Ca -0.00 0.23 -0.61 0.00 0.02 0.00 0.00 57.03 56.67 1wf0 h ASP 16 Cb 0.81 0.45 0.12 0.00 0.22 0.00 0.00 39.33 40.94 1wf0 h ASP 16 CO 0.04 -0.25 -0.06 0.23 -1.72 0.00 0.00 179.24 177.48 1wf0 n MET 17 N -5.47 1.03 -4.58 3.56 2.81 -1.23 -4.99 117.12 108.24 1wf0 n MET 17 Ca 0.14 0.37 -0.23 0.00 -1.81 0.00 0.00 57.70 56.16 1wf0 n MET 17 Cb 0.47 -1.72 -0.14 0.00 -0.71 0.00 0.00 33.22 31.12 1wf0 n MET 17 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1wf0 s THR 18 N -1.20 1.33 0.33 2.03 -4.23 -1.26 -4.97 115.64 107.67 1wf0 s THR 18 Ca 0.61 -0.95 0.24 0.00 -1.18 0.00 0.00 61.69 60.41 1wf0 s THR 18 Cb -0.67 -1.16 0.37 0.00 1.34 0.00 0.00 72.50 72.38 1wf0 s THR 18 CO 0.58 0.19 1.22 -0.62 -0.54 0.00 0.00 174.62 175.45 1wf0 n GLU 19 N 2.15 -0.03 0.16 3.99 1.02 -1.26 0.15 120.64 126.82 1wf0 n GLU 19 Ca -0.17 1.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.83 1wf0 n GLU 19 Cb 0.54 -1.93 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 1wf0 n GLU 19 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1wf0 h ASP 20 N 0.00 -0.30 0.12 1.62 1.82 -1.94 0.42 116.42 118.15 1wf0 h ASP 20 Ca 0.68 -0.06 0.01 0.00 -0.39 0.00 0.00 57.03 57.28 1wf0 h ASP 20 Cb 2.13 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 42.18 1wf0 h ASP 20 CO -0.41 -0.13 -0.46 -0.33 -1.61 0.00 0.00 179.24 176.30 1wf0 h GLU 21 N -0.45 -0.64 0.23 0.28 4.39 0.98 0.97 114.58 120.35 1wf0 h GLU 21 Ca -0.04 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1wf0 h GLU 21 Cb 0.34 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1wf0 h GLU 21 CO 0.06 -0.42 -0.13 -0.07 -1.16 0.00 0.00 179.01 177.29 1wf0 h LEU 22 N -0.66 -0.31 -1.75 1.33 3.38 -1.53 0.17 115.31 115.95 1wf0 h LEU 22 Ca -0.01 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.28 1wf0 h LEU 22 Cb 0.66 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1wf0 h LEU 22 CO -0.24 -0.21 0.75 -0.09 0.09 0.00 0.00 178.44 178.75 1wf0 h ARG 23 N -0.33 0.15 0.00 1.13 2.43 0.05 0.87 114.38 118.68 1wf0 h ARG 23 Ca -0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1wf0 h ARG 23 Cb 0.27 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1wf0 h ARG 23 CO 0.04 0.10 -1.03 0.93 -1.51 0.00 0.00 179.97 178.49 1wf0 h GLU 24 N 0.15 0.00 0.01 0.20 4.39 -0.10 -3.17 114.58 116.06 1wf0 h GLU 24 Ca 0.56 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 60.04 1wf0 h GLU 24 Cb 1.90 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.53 1wf0 h GLU 24 CO -0.12 0.04 -1.07 0.35 -1.16 0.00 0.00 179.01 177.04 1wf0 h PHE 25 N 0.00 0.05 -0.02 4.33 3.57 0.36 -3.23 116.94 122.00 1wf0 h PHE 25 Ca -0.02 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1wf0 h PHE 25 Cb 1.08 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1wf0 h PHE 25 CO 0.00 1.03 -0.09 1.19 -2.23 0.00 0.00 178.31 178.21 1wf0 n PHE 26 N -3.35 0.00 0.10 0.41 3.72 0.79 -4.06 117.46 115.08 1wf0 n PHE 26 Ca -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.36 1wf0 n PHE 26 Cb 0.96 -0.02 0.23 0.00 -0.94 0.00 0.00 39.48 39.70 1wf0 n PHE 26 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1wf0 h SER 27 N 2.69 0.21 -0.38 4.37 4.64 -1.56 -2.67 113.55 120.85 1wf0 h SER 27 Ca 0.00 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 1wf0 h SER 27 Cb 0.64 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1wf0 h SER 27 CO 0.00 0.62 -0.37 0.06 -0.87 0.00 0.00 176.83 176.28 1wf0 h GLN 28 N 0.17 0.93 0.55 4.77 3.07 -1.75 -3.29 115.11 119.55 1wf0 h GLN 28 Ca 0.01 -0.48 -0.03 0.00 0.09 0.00 0.00 58.65 58.25 1wf0 h GLN 28 Cb 0.83 0.01 0.01 0.00 0.08 0.00 0.00 27.48 28.41 1wf0 h GLN 28 CO 0.07 1.13 -0.26 1.88 0.09 0.00 0.00 178.83 181.74 1wf0 h TYR 29 N 0.77 -0.68 -3.36 0.06 0.05 -1.76 -3.48 116.97 108.56 1wf0 h TYR 29 Ca 0.07 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.72 1wf0 h TYR 29 Cb 0.96 0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.90 1wf0 h TYR 29 CO 0.06 -0.36 0.13 0.20 -1.05 0.00 0.00 178.16 177.15 1wf0 s GLY 30 N -2.42 0.78 -1.20 3.88 0.00 -1.02 -5.06 107.32 102.28 1wf0 s GLY 30 Ca -0.15 -1.04 -0.22 0.00 0.00 0.00 0.00 44.72 43.31 1wf0 s GLY 30 CO 0.53 -0.55 1.90 1.22 0.00 0.00 0.00 173.10 176.21 1wf0 n ASP 31 N -1.51 3.38 -4.56 1.64 8.00 -1.26 -4.20 116.55 118.03 1wf0 n ASP 31 Ca -0.06 -2.74 -0.39 0.00 0.71 0.00 0.00 54.79 52.32 1wf0 n ASP 31 Cb 0.60 -1.72 -0.03 0.00 -0.02 0.00 0.00 41.12 39.95 1wf0 n ASP 31 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wf0 s VAL 32 N 9.67 3.14 0.14 2.53 0.11 -1.26 -1.75 120.40 132.98 1wf0 s VAL 32 Ca 0.65 0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 59.52 1wf0 s VAL 32 Cb 0.01 -3.30 -0.05 0.00 -1.53 0.00 0.00 36.38 31.51 1wf0 s VAL 32 CO 0.13 -0.26 1.56 0.24 -3.33 0.00 0.00 175.10 173.43 1wf0 h MET 33 N 16.95 -0.34 -1.89 1.54 2.86 -1.36 -3.47 114.93 129.23 1wf0 h MET 33 Ca -0.29 0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.61 1wf0 h MET 33 Cb 1.23 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.85 1wf0 h MET 33 CO 1.12 -0.23 0.65 0.34 1.06 0.00 0.00 176.91 179.86 1wf0 s ASP 34 N -5.06 -0.15 -0.10 1.22 2.15 -0.85 -5.02 116.67 108.86 1wf0 s ASP 34 Ca -0.14 -0.20 0.01 0.00 0.43 0.00 0.00 52.55 52.65 1wf0 s ASP 34 Cb 0.10 0.31 0.02 0.00 -0.30 0.00 0.00 42.92 43.05 1wf0 s ASP 34 CO 0.64 -0.56 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.28 1wf0 s VAL 35 N -2.84 1.18 0.22 1.11 1.01 -1.26 -1.09 120.40 118.73 1wf0 s VAL 35 Ca 0.12 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 61.76 1wf0 s VAL 35 Cb 0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1wf0 s VAL 35 CO -0.02 0.38 -0.20 0.12 0.00 0.00 0.00 175.10 175.38 1wf0 s PHE 36 N 1.16 2.10 -0.36 5.22 5.36 -0.41 -4.88 117.98 126.16 1wf0 s PHE 36 Ca -0.05 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 55.53 1wf0 s PHE 36 Cb -0.14 -0.98 0.11 0.00 -0.34 0.00 0.00 43.02 41.67 1wf0 s PHE 36 CO -0.03 0.52 0.14 0.42 -1.46 0.00 0.00 175.22 174.82 1wf0 s ILE 37 N -2.27 1.25 0.33 3.12 1.01 -1.26 -1.52 121.20 121.86 1wf0 s ILE 37 Ca 0.23 -1.94 -0.28 0.00 0.00 0.00 0.00 60.65 58.66 1wf0 s ILE 37 Cb -0.05 -1.92 -0.10 0.00 0.01 0.00 0.00 42.46 40.41 1wf0 s ILE 37 CO 0.11 -0.75 1.22 -2.16 0.00 0.00 0.00 174.94 173.36 1wf0 s PRO 38 N 1.07 4.37 0.12 2.79 0.04 -1.26 -4.91 135.00 137.22 1wf0 s PRO 38 Ca 0.13 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.22 1wf0 s PRO 38 Cb -0.20 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1wf0 s PRO 38 CO -0.14 -0.10 0.15 0.15 0.04 0.00 0.00 177.00 177.10 1wf0 s LYS 39 N -1.80 3.04 0.22 4.56 -0.14 -1.26 -3.29 119.74 121.07 1wf0 s LYS 39 Ca 0.49 -0.72 -0.30 0.00 -1.36 0.00 0.00 55.97 54.08 1wf0 s LYS 39 Cb -0.36 -2.77 -0.09 0.00 -1.68 0.00 0.00 37.83 32.94 1wf0 s LYS 39 CO 0.46 0.53 1.29 -1.25 -0.76 0.00 0.00 175.35 175.62 1wf0 s PRO 40 N -2.82 4.41 -0.06 -1.68 0.04 -1.26 -5.12 135.00 128.51 1wf0 s PRO 40 Ca 0.31 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 1wf0 s PRO 40 Cb -0.11 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 1wf0 s PRO 40 CO 0.24 -0.20 1.07 0.12 0.04 0.00 0.00 177.00 178.27 1wf0 s PHE 41 N -0.17 3.45 -0.52 0.56 5.36 -1.21 -5.00 117.98 120.46 1wf0 s PHE 41 Ca 0.54 1.49 0.04 0.00 -0.96 0.00 0.00 56.93 58.04 1wf0 s PHE 41 Cb -0.36 -3.25 0.16 0.00 -0.34 0.00 0.00 43.02 39.22 1wf0 s PHE 41 CO 0.40 -0.55 0.36 1.03 -1.46 0.00 0.00 175.22 175.01 1wf0 s ARG 42 N 1.82 1.56 -1.15 10.12 0.52 -1.26 -4.88 118.95 125.67 1wf0 s ARG 42 Ca 0.52 -2.51 -0.15 0.00 -0.52 0.00 0.00 55.73 53.07 1wf0 s ARG 42 Cb -0.21 -2.38 0.15 0.00 0.52 0.00 0.00 34.95 33.02 1wf0 s ARG 42 CO 0.22 -1.29 0.37 0.00 0.02 0.00 0.00 175.30 174.62 1wf0 n ALA 43 N 2.75 -1.12 -3.40 2.13 0.00 -1.26 -4.84 120.51 114.77 1wf0 n ALA 43 Ca 0.20 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1wf0 n ALA 43 Cb 0.39 -1.73 -0.09 0.00 0.00 0.00 0.00 19.45 18.02 1wf0 n ALA 43 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1wf0 s PHE 44 N -2.75 -0.53 0.11 0.00 -0.12 -1.26 -0.94 117.98 112.48 1wf0 s PHE 44 Ca 0.51 1.28 0.03 0.00 -0.05 0.00 0.00 56.93 58.70 1wf0 s PHE 44 Cb -0.30 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1wf0 s PHE 44 CO 0.63 -0.26 -0.08 0.00 -0.05 0.00 0.00 175.22 175.45 1wf0 s ALA 45 N 0.36 1.13 -0.23 1.99 0.00 -1.16 -4.79 121.76 119.06 1wf0 s ALA 45 Ca -0.01 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 1wf0 s ALA 45 Cb -0.04 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1wf0 s ALA 45 CO -0.01 -0.15 0.08 0.12 0.00 0.00 0.00 175.76 175.80 1wf0 s PHE 46 N -3.24 3.14 -0.11 0.00 5.36 -0.57 -0.77 117.98 121.78 1wf0 s PHE 46 Ca 0.11 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 1wf0 s PHE 46 Cb 0.02 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.48 1wf0 s PHE 46 CO -0.02 -0.20 -0.10 0.08 -1.46 0.00 0.00 175.22 173.52 1wf0 s VAL 47 N 1.27 3.38 -0.14 3.12 1.01 0.04 -1.29 120.40 127.79 1wf0 s VAL 47 Ca 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1wf0 s VAL 47 Cb -0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1wf0 s VAL 47 CO 0.04 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.69 1wf0 s THR 48 N -0.12 3.22 0.24 3.92 2.01 -0.25 -1.24 115.64 123.42 1wf0 s THR 48 Ca 0.00 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 61.48 1wf0 s THR 48 Cb -0.13 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1wf0 s THR 48 CO 0.03 0.51 0.12 -0.36 -0.69 0.00 0.00 174.62 174.23 1wf0 s PHE 49 N 0.46 2.98 -0.09 4.92 0.08 -1.03 -1.08 117.98 124.22 1wf0 s PHE 49 Ca -0.08 -0.13 0.26 0.00 0.12 0.00 0.00 56.93 57.10 1wf0 s PHE 49 Cb -0.15 -1.36 0.82 0.00 -0.57 0.00 0.00 43.02 41.76 1wf0 s PHE 49 CO 0.04 0.55 1.78 0.00 -0.10 0.00 0.00 175.22 177.49 1wf0 h ALA 50 N 1.81 0.97 -3.39 5.36 0.00 -1.68 -3.42 119.26 118.92 1wf0 h ALA 50 Ca -0.47 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 53.81 1wf0 h ALA 50 Cb 1.23 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 18.67 1wf0 h ALA 50 CO 0.61 0.12 -0.82 0.34 0.00 0.00 0.00 179.25 179.50 1wf0 s ASP 51 N -6.04 1.99 0.52 0.00 -1.08 -1.26 -5.01 116.67 105.79 1wf0 s ASP 51 Ca 0.03 -0.34 0.18 0.00 -0.52 0.00 0.00 52.55 51.90 1wf0 s ASP 51 Cb 0.08 -0.91 1.30 0.00 -1.46 0.00 0.00 42.92 41.93 1wf0 s ASP 51 CO 0.62 0.04 2.12 -2.24 0.52 0.00 0.00 175.17 176.23 1wf0 h ASP 52 N 7.02 0.00 0.09 -0.34 3.04 -1.83 -0.66 116.42 123.73 1wf0 h ASP 52 Ca -0.29 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.46 1wf0 h ASP 52 Cb 1.19 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.47 1wf0 h ASP 52 CO 0.47 0.00 -0.14 1.56 -2.04 0.00 0.00 179.24 179.10 1wf0 h GLN 53 N 0.00 0.12 -0.01 4.15 1.08 -1.95 -1.29 115.11 117.20 1wf0 h GLN 53 Ca 0.05 -0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 57.01 1wf0 h GLN 53 Cb 0.22 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1wf0 h GLN 53 CO -0.00 0.26 -0.91 0.82 -0.95 0.00 0.00 178.83 178.06 1wf0 h ILE 54 N 0.12 1.40 -0.17 2.54 2.04 -1.54 0.18 117.51 122.08 1wf0 h ILE 54 Ca 0.02 -2.41 -0.17 0.00 1.00 0.00 0.00 64.86 63.31 1wf0 h ILE 54 Cb 0.32 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1wf0 h ILE 54 CO 0.02 0.72 -0.59 0.00 0.00 0.00 0.00 178.15 178.29 1wf0 h ALA 55 N 0.78 0.64 0.00 1.87 0.00 -1.29 -3.04 119.26 118.22 1wf0 h ALA 55 Ca -0.07 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1wf0 h ALA 55 Cb 1.53 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1wf0 h ALA 55 CO 0.16 0.70 -0.32 1.96 0.00 0.00 0.00 179.25 181.75 1wf0 h GLN 56 N 0.42 0.00 -0.93 0.00 4.20 -1.28 -3.24 115.11 114.28 1wf0 h GLN 56 Ca -0.00 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.98 1wf0 h GLN 56 Cb 1.15 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.89 1wf0 h GLN 56 CO 0.11 0.33 0.96 1.03 -0.67 0.00 0.00 178.83 180.59 1wf0 h SER 57 N -1.00 0.00 0.20 1.46 0.87 -0.78 0.90 113.55 115.19 1wf0 h SER 57 Ca -0.05 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.21 1wf0 h SER 57 Cb 0.51 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.51 1wf0 h SER 57 CO -0.03 0.00 -1.30 -0.07 -0.53 0.00 0.00 176.83 174.90 1wf0 h LEU 58 N 0.00 0.81 -9.12 2.23 3.38 -1.65 -3.45 115.31 107.51 1wf0 h LEU 58 Ca 0.44 -0.89 -0.76 0.00 0.09 0.00 0.00 57.88 56.76 1wf0 h LEU 58 Cb 2.36 -0.26 0.04 0.00 0.09 0.00 0.00 40.66 42.88 1wf0 h LEU 58 CO -0.00 1.63 0.48 0.00 0.09 0.00 0.00 178.44 180.64 1wf0 n GLY 60 N 2.85 3.26 3.71 0.00 0.00 -0.85 -4.99 105.19 109.18 1wf0 n GLY 60 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1wf0 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wf0 s GLU 61 N -0.68 4.53 -0.41 1.61 0.41 0.87 -4.93 118.70 120.09 1wf0 s GLU 61 Ca 0.00 1.28 -0.21 0.00 -0.41 0.00 0.00 54.97 55.63 1wf0 s GLU 61 Cb 0.00 -3.46 0.02 0.00 -1.78 0.00 0.00 34.13 28.91 1wf0 s GLU 61 CO 0.00 -0.02 0.64 -0.51 -0.49 0.00 0.00 175.26 174.88 1wf0 s ASP 62 N 0.94 6.35 -0.07 -0.19 1.01 -1.26 -3.89 116.67 119.57 1wf0 s ASP 62 Ca 0.48 -0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.54 1wf0 s ASP 62 Cb -0.20 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 1wf0 s ASP 62 CO 0.25 -0.72 0.00 -0.76 0.21 0.00 0.00 175.17 174.15 1wf0 s LEU 63 N 2.79 3.58 -0.21 1.23 1.43 -1.19 -4.97 118.68 121.34 1wf0 s LEU 63 Ca 0.23 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.38 1wf0 s LEU 63 Cb -0.14 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1wf0 s LEU 63 CO 0.18 0.36 0.07 -0.63 0.23 0.00 0.00 176.35 176.56 1wf0 s ILE 64 N -0.92 4.67 -0.23 -0.59 -1.09 -1.26 -1.70 121.20 120.08 1wf0 s ILE 64 Ca 0.14 -0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.51 1wf0 s ILE 64 Cb -0.11 -3.13 0.05 0.00 -1.58 0.00 0.00 42.46 37.69 1wf0 s ILE 64 CO 0.04 0.41 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.44 1wf0 s ILE 65 N 0.81 1.70 0.00 2.92 1.01 0.58 -4.69 121.20 123.54 1wf0 s ILE 65 Ca 0.04 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.47 1wf0 s ILE 65 Cb -0.13 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1wf0 s ILE 65 CO 0.02 0.02 0.00 0.29 0.00 0.00 0.00 174.94 175.28 1wf0 n LYS 66 N 4.63 -0.53 0.00 2.79 5.02 -1.26 -2.17 118.16 126.64 1wf0 n LYS 66 Ca -0.14 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wf0 n LYS 66 Cb 0.45 -4.03 0.00 0.00 -0.02 0.00 0.00 35.03 31.43 1wf0 n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wf0 n GLY 67 N -1.34 1.72 3.84 0.72 0.00 -1.26 -5.11 105.19 103.76 1wf0 n GLY 67 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1wf0 n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wf0 s ILE 68 N -0.47 4.30 -0.11 -0.61 -5.25 -0.92 -4.99 121.20 113.15 1wf0 s ILE 68 Ca 0.00 0.85 0.00 0.00 -0.99 0.00 0.00 60.65 60.52 1wf0 s ILE 68 Cb 0.00 -3.61 -0.02 0.00 2.95 0.00 0.00 42.46 41.78 1wf0 s ILE 68 CO 0.00 -0.87 -0.11 -0.55 -1.79 0.00 0.00 174.94 171.61 1wf0 s SER 69 N -3.65 4.19 -0.04 4.36 0.15 -1.26 -0.30 113.70 117.15 1wf0 s SER 69 Ca 0.58 -0.24 0.07 0.00 0.70 0.00 0.00 55.95 57.06 1wf0 s SER 69 Cb -0.13 -1.43 -0.01 0.00 -1.71 0.00 0.00 66.02 62.74 1wf0 s SER 69 CO 0.48 0.22 -0.24 0.68 1.20 0.00 0.00 173.24 175.59 1wf0 s VAL 70 N 0.01 1.92 -0.35 4.45 -7.23 -0.69 -4.75 120.40 113.76 1wf0 s VAL 70 Ca -0.03 -1.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.97 1wf0 s VAL 70 Cb -0.14 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 1wf0 s VAL 70 CO 0.04 0.54 0.38 -2.28 -0.31 0.00 0.00 175.10 173.47 1wf0 s HIS 71 N -0.33 3.21 0.14 2.82 5.65 -1.26 -3.17 115.29 122.35 1wf0 s HIS 71 Ca 0.02 -0.02 -0.30 0.00 0.25 0.00 0.00 55.06 55.01 1wf0 s HIS 71 Cb -0.11 -2.70 -0.07 0.00 -1.18 0.00 0.00 32.58 28.51 1wf0 s HIS 71 CO 0.01 -0.45 1.06 0.42 -0.65 0.00 0.00 174.74 175.13 1wf0 s ILE 72 N 2.06 4.12 0.19 0.89 -1.09 -1.25 -4.03 121.20 122.08 1wf0 s ILE 72 Ca 0.12 1.77 -0.06 0.00 -2.23 0.00 0.00 60.65 60.26 1wf0 s ILE 72 Cb -0.16 -4.13 -0.02 0.00 -1.58 0.00 0.00 42.46 36.56 1wf0 s ILE 72 CO 0.12 0.28 0.23 -0.94 -1.23 0.00 0.00 174.94 173.40 1wf0 s SER 73 N 0.04 0.10 -0.27 3.58 1.04 -1.19 -2.01 113.70 114.99 1wf0 s SER 73 Ca 0.49 -1.13 0.02 0.00 0.48 0.00 0.00 55.95 55.82 1wf0 s SER 73 Cb -0.27 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.35 1wf0 s SER 73 CO 0.33 -0.90 -0.04 0.21 0.98 0.00 0.00 173.24 173.82 1wf0 s ASN 74 N -3.06 4.30 0.06 7.02 2.47 -1.26 -1.61 114.94 122.86 1wf0 s ASN 74 Ca 0.27 -1.52 0.02 0.00 0.42 0.00 0.00 52.86 52.05 1wf0 s ASN 74 Cb 0.04 -1.40 -0.03 0.00 -1.45 0.00 0.00 41.25 38.42 1wf0 s ASN 74 CO 0.07 -0.26 -0.06 0.00 -3.72 0.00 0.00 177.10 173.12 1wf0 s ALA 75 N 1.19 0.67 -0.34 1.71 0.00 -1.25 -5.03 121.76 118.71 1wf0 s ALA 75 Ca -0.02 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1wf0 s ALA 75 Cb -0.19 0.12 0.13 0.00 0.00 0.00 0.00 23.12 23.18 1wf0 s ALA 75 CO -0.07 -0.15 0.20 -1.21 0.00 0.00 0.00 175.76 174.53 1wf0 s GLU 76 N -2.63 0.48 0.37 0.00 2.02 -1.26 -4.79 118.70 112.89 1wf0 s GLU 76 Ca -0.01 -1.14 -0.27 0.00 0.02 0.00 0.00 54.97 53.58 1wf0 s GLU 76 Cb -0.03 -1.23 -0.09 0.00 0.10 0.00 0.00 34.13 32.88 1wf0 s GLU 76 CO -0.03 -1.17 1.20 -1.25 0.02 0.00 0.00 175.26 174.04 1wf0 s PRO 77 N 1.30 4.19 -0.42 0.39 0.04 -1.26 -4.99 135.00 134.25 1wf0 s PRO 77 Ca 0.16 1.95 -0.22 0.00 0.04 0.00 0.00 61.00 62.93 1wf0 s PRO 77 Cb -0.21 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.50 1wf0 s PRO 77 CO -0.07 -0.23 0.71 0.21 0.04 0.00 0.00 177.00 177.66 1wf0 s LYS 78 N -2.06 3.45 -0.33 4.56 2.20 -1.26 -5.01 119.74 121.29 1wf0 s LYS 78 Ca 0.53 -0.13 0.01 0.00 -0.36 0.00 0.00 55.97 56.03 1wf0 s LYS 78 Cb -0.34 -3.91 0.10 0.00 -1.51 0.00 0.00 37.83 32.18 1wf0 s LYS 78 CO 0.43 -0.99 0.09 -1.01 -0.36 0.00 0.00 175.35 173.51 1wf0 s HIS 79 N 3.02 2.53 -0.48 4.03 3.76 -1.26 -4.91 115.29 121.98 1wf0 s HIS 79 Ca 0.27 -2.27 -0.18 0.00 -0.15 0.00 0.00 55.06 52.72 1wf0 s HIS 79 Cb -0.13 -2.21 0.02 0.00 1.11 0.00 0.00 32.58 31.38 1wf0 s HIS 79 CO 0.20 -0.90 0.63 -1.71 -0.85 0.00 0.00 174.74 172.10 1wf0 n ASN 80 N 4.56 -7.35 -4.81 1.40 2.85 -1.26 -4.96 115.26 105.69 1wf0 n ASN 80 Ca 0.01 0.28 -0.33 0.00 -0.11 0.00 0.00 54.58 54.42 1wf0 n ASN 80 Cb 0.42 -4.51 -0.03 0.00 1.24 0.00 0.00 39.78 36.90 1wf0 n ASN 80 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1wf0 s SER 81 N -2.44 6.31 0.24 1.20 0.01 -1.26 -4.77 113.70 112.99 1wf0 s SER 81 Ca 0.24 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.30 1wf0 s SER 81 Cb -0.05 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1wf0 s SER 81 CO 0.79 -0.81 0.00 -3.20 0.41 0.00 0.00 173.24 170.44 1wf0 n ASN 82 N -1.35 -8.84 -3.74 2.44 2.85 -1.26 -5.05 115.26 100.31 1wf0 n ASN 82 Ca 0.08 1.32 -0.15 0.00 -0.11 0.00 0.00 54.58 55.73 1wf0 n ASN 82 Cb 0.53 -4.91 -0.15 0.00 1.24 0.00 0.00 39.78 36.49 1wf0 n ASN 82 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1wf0 s SER 83 N -0.85 0.10 0.00 1.20 0.01 -1.26 -5.15 113.70 107.75 1wf0 s SER 83 Ca 0.00 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1wf0 s SER 83 Cb 0.00 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1wf0 s SER 83 CO 0.00 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1wf0 n GLY 84 N 4.42 3.78 3.59 3.44 0.00 -1.26 -5.11 105.19 114.05 1wf0 n GLY 84 Ca -0.23 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1wf0 n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf0 s PRO 85 N 1.18 3.32 0.41 1.61 0.04 -1.26 -4.99 135.00 135.30 1wf0 s PRO 85 Ca 0.00 1.23 -0.21 0.00 0.04 0.00 0.00 61.00 62.06 1wf0 s PRO 85 Cb 0.00 -4.18 -0.11 0.00 0.04 0.00 0.00 34.50 30.25 1wf0 s PRO 85 CO 0.00 -1.88 0.93 0.45 0.04 0.00 0.00 177.00 176.53 1wf0 s SER 86 N 5.81 6.96 0.23 6.66 0.15 -1.26 -5.07 113.70 127.18 1wf0 s SER 86 Ca 0.74 1.66 0.06 0.00 0.70 0.00 0.00 55.95 59.11 1wf0 s SER 86 Cb -0.19 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 1wf0 s SER 86 CO 0.32 -0.32 0.27 -0.94 1.20 0.00 0.00 173.24 173.78 1wf0 s SER 87 N -2.14 5.94 0.00 5.45 1.04 -1.26 -5.34 113.70 117.39 1wf0 s SER 87 Ca 0.60 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1wf0 s SER 87 Cb -0.10 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.38 1wf0 s SER 87 CO 0.14 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.93